getextcalib-methods         package:mscalib         R Documentation

_O_b_t_a_i_n _e_x_t_e_r_n_a_l _c_a_l_i_b_r_a_t_i_o_n _m_o_d_e_l _f_r_o_m _p_o_l_y-_m_e_r _s_a_m_p_l_e_s

_D_e_s_c_r_i_p_t_i_o_n:

     Some sample spots on the sample support are dedicated to
     calibration only. Calibration samples, which yield equidistant
     peaks with known masses (_ e.g._ polymer mixtures), can be used to
     precisely estimate the mass-dependent difference function y_i. In
     our implementation we used an implementation of the smoothing
     spline function, provided by B.D. Ripley and Martin M{\"a}chler
     (based on Fortran code of T. Hastie and R. Tibshirani) as part of
     the  'R-stats' package ('smooth.spline').

_A_r_g_u_m_e_n_t_s:

  object: 'Massvectorlist-class' or 'Massvector-class'

   calib: 'link[]{Massvector-class}' providing theoretical masses. (see
          method 'getPPGmasses')

   error: size of the search window.

     ppm: was the search window (error) specified in relative (parts
          per million) or in absolute arbitrary units e.g. Dalton

    uniq: Should crossing matching should be resolved? default : FALSE.

_M_e_t_h_o_d_s:


     _o_b_j_e_c_t = "_M_a_s_s_v_e_c_t_o_r_l_i_s_t", _c_a_l_i_b = "_m_i_s_s_i_n_g" ... 

     _o_b_j_e_c_t = "_M_a_s_s_v_e_c_t_o_r_l_i_s_t", _c_a_l_i_b = "_M_a_s_s_v_e_c_t_o_r" ... 

     _o_b_j_e_c_t = "_M_a_s_s_v_e_c_t_o_r", _c_a_l_i_b = "_M_a_s_s_v_e_c_t_o_r" ... 

_R_e_f_e_r_e_n_c_e_s:

     ''A calibration method that simplifies and improves accurate
     determination of peptide molecular masses by MALDI-TOF MS'' Gobom
     et al. 2002 _Anal Chem_ 74(15) 3915-3923

_S_e_e _A_l_s_o:

     'getPPGmasses'

